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CHEBI:208313 - Okilactomycin B

ChEBI IDCHEBI:208313
ChEBI NameOkilactomycin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H40O9
Net Charge0
Average Mass508.608
Monoisotopic Mass508.26723
SMILESC[C@@H]1CCC[C@H]2C=C(C(=O)O)[C@@H](C)C[C@]23OC(=O)[C@@]2(C)C(=O)[C@@H](COCC(O)CO)[C@H](O[C@H]23)[C@H](C)C1
InChIInChI=1S/C27H40O9/c1-14-6-5-7-17-9-19(23(31)32)16(3)10-27(17)24-26(4,25(33)36-27)22(30)20(13-34-12-18(29)11-28)21(35-24)15(2)8-14/h9,14-18,20-21,24,28-29H,5-8,10-13H2,1-4H3,(H,31,32)/t14-,15-,16+,17+,18?,20+,21-,24-,26+,27+/m1/s1
InChIKeyLUXYKHKOIHGKHO-WLWSUZHBSA-N
Species of MetaboliteComponentSourceComments
Embleya scabrispora (ncbitaxon:159449) - PubMed (19132063)
ChEBI Ontology
Outgoing Relation(s)
Okilactomycin B (CHEBI:208313) is a furopyran (CHEBI:74927)
IUPAC Name 
(1S,3S,6S,10R,12R,13R,14S,16R,19R)-14-(2,3-dihydroxypropoxymethyl)-3,10,12,16-tetramethyl-15,17-dioxo-18,20-dioxatetracyclo[11.5.2.01,6.016,19]icos-4-ene-4-carboxylic acid
Manual XrefsDatabases
78440462ChemSpider